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1,1,1,3,3,3-Hexafluoropropan-2-yl 3-phenylpropanoate
SpectraBase Compound ID FjCl9D4Flfl
InChI InChI=1S/C12H10F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey HBWNOCIGYPTDGA-UHFFFAOYSA-N
Mol Weight 300.2 g/mol
Molecular Formula C12H10F6O2
Exact Mass 300.058499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLGiZpymirQ
Name 1,1,1,3,3,3-Hexafluoropropan-2-yl 3-phenylpropanoate
Alternate Name(s) 3-Phenylpropanoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 3-phenylpropanoate 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 3-phenylpropanoate
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Formula C12H10F6O2
InChI InChI=1S/C12H10F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey HBWNOCIGYPTDGA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400785d
Molecular Weight 300.200 g/mol
SMILES c1(ccccc1)CCC(OC(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0udl-9803000000-9ec81db1c2011c40bb0b
Source of Spectrum A1-15-2222/SMS18-3q
Wiley ID 1748567